6IQD

Crystal structure of Alcohol dehydrogenase from Geobacillus stearothermophilus

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-28
Detector	MAR CCD 165 mm
Wavelength(s)	0.9798
Spacegroup name	P 21 21 21
格子定数 [Å]	71.442, 149.186, 269.277
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	49.800 - 2.840
R因子	0.2354
Rwork	0.232
R-free	0.29120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rjw
結合長の平均二乗偏差(RMSD) [Å]	0.003
結合角の平均二乗偏差(RMSD) [度]	0.673
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	49.800	2.940
分解能 [Å] (高)	2.840	2.840
Rmerge_l_obs	0.124	0.528
独立反射数	67992	6314
<I/σ(I)>	11.53	2.82
完全性 [%]	97.7	93.18
冗長性	4.1	4

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP		300	0.2M Ammonium sulfate, 0.1M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3350